(4S)-5-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C18H24N4O2 — CID 97389120

IUPAC(4S)-5-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESC=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1cccnc1OC
InChIInChI=1S/C18H24N4O2/c1-4-10-24-12-16-17-15(20-13-21(17)2)7-9-22(16)11-14-6-5-8-19-18(14)23-3/h4-6,8,13,16H,1,7,9-12H2,2-3H3/t16-/m1/s1
InChIKeyYWLNQMINKDOXGO-MRXNPFEDSA-N
MW328.42 g/mol
LogP2.13
Rot. Bonds7

About (4S)-5-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

(4S)-5-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 97389120) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (4S)-5-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-5-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID97389120
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(4S)-5-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESC=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1cccnc1OC
InChIInChI=1S/C18H24N4O2/c1-4-10-24-12-16-17-15(20-13-21(17)2)7-9-22(16)11-14-6-5-8-19-18(14)23-3/h4-6,8,13,16H,1,7,9-12H2,2-3H3/t16-/m1/s1
InChIKeyYWLNQMINKDOXGO-MRXNPFEDSA-N
XLogP2.13
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of (4S)-5-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 97389120) is (4S)-5-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-5-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-5-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1cccnc1OC.
What is the InChIKey of (4S)-5-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is YWLNQMINKDOXGO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-10-24-12-16-17-15(20-13-21(17)2)7-9-22(16)11-14-6-5-8-19-18(14)23-3/h4-6,8,13,16H,1,7,9-12H2,2-3H3/t16-/m1/s1.
What are the key properties of (4S)-5-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
(4S)-5-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 328.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 97389120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).